(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride

C11H19ClN2 — CID 171200288

IUPAC(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccncc1.Cl
InChIInChI=1S/C11H18N2.ClH/c1-9(2)3-4-11(12)10-5-7-13-8-6-10;/h5-9,11H,3-4,12H2,1-2H3;1H/t11-;/m1./s1
InChIKeyDIZWLUBOFUHQFV-RFVHGSKJSA-N
MW214.74 g/mol
LogP2.94
Rot. Bonds4

About (1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride

(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride (PubChem CID 171200288) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is (1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
PubChem CID171200288
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccncc1.Cl
InChIInChI=1S/C11H18N2.ClH/c1-9(2)3-4-11(12)10-5-7-13-8-6-10;/h5-9,11H,3-4,12H2,1-2H3;1H/t11-;/m1./s1
InChIKeyDIZWLUBOFUHQFV-RFVHGSKJSA-N
XLogP2.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
4-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171217740
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 171202898
(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
CID 171200285
1-pyridin-4-ylnonan-1-amine
CID 62600271

Frequently Asked Questions

What is the IUPAC name of (1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride?
The IUPAC name of (1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride (CID 171200288) is (1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride is CC(C)CC[C@@H](N)c1ccncc1.Cl.
What is the InChIKey of (1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride?
The InChIKey is DIZWLUBOFUHQFV-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H18N2.ClH/c1-9(2)3-4-11(12)10-5-7-13-8-6-10;/h5-9,11H,3-4,12H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride?
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride has a molecular weight of 214.74 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171200288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).